#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl s LYS 2 N 0.00 0.56 0.74 1.96 1.02 -1.26 -5.09 119.74 117.67 1snl s LYS 2 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1snl s LYS 2 Cb 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1snl s LYS 2 CO 0.00 -1.18 0.00 0.39 -0.92 0.00 0.00 175.35 173.64 1snl n GLU 3 N 4.31 -0.93 0.00 1.68 -0.58 -1.26 -2.53 120.64 121.33 1snl n GLU 3 Ca 0.10 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 1snl n GLU 3 Cb 0.42 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1snl n GLU 3 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1snl n VAL 4 N -2.08 0.00 0.00 2.62 0.24 -1.26 -4.02 118.33 113.84 1snl n VAL 4 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1snl n VAL 4 Cb 0.21 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 1snl n VAL 4 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1snl n TRP 5 N -0.10 0.00 0.00 6.34 -0.00 -1.05 -4.78 117.44 117.85 1snl n TRP 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1snl n TRP 5 Cb 0.10 -0.44 0.00 0.00 -0.00 0.00 0.00 31.31 30.97 1snl n TRP 5 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1snl n GLU 6 N -1.83 0.00 0.00 5.87 2.13 -1.25 -4.40 120.64 121.16 1snl n GLU 6 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1snl n GLU 6 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1snl n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1snl n GLU 7 N 0.00 0.00 -3.10 5.31 2.13 -1.26 -5.07 120.64 118.65 1snl n GLU 7 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1snl n GLU 7 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1snl n GLU 7 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1snl s LEU 8 N -2.61 -1.06 -0.35 4.31 2.96 -1.26 -5.03 118.68 115.65 1snl s LEU 8 Ca 0.00 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1snl s LEU 8 Cb 0.00 1.54 -0.05 0.00 0.50 0.00 0.00 46.19 48.18 1snl s LEU 8 CO 0.00 -0.16 1.58 -0.90 -1.32 0.00 0.00 176.35 175.54 1snl n ASP 9 N 4.82 2.41 0.00 3.68 5.75 -1.26 -3.98 116.55 127.97 1snl n ASP 9 Ca 0.08 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1snl n ASP 9 Cb 0.57 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1snl n GLY 10 N 3.53 -1.64 3.46 6.12 0.00 -1.26 -5.09 105.19 110.32 1snl n GLY 10 Ca 0.21 0.81 -0.48 0.00 0.00 0.00 0.00 46.02 46.56 1snl n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1snl n LEU 11 N 0.00 2.04 -3.51 0.99 7.94 -1.26 -4.84 117.00 118.37 1snl n LEU 11 Ca 0.00 0.29 -0.17 0.00 -1.11 0.00 0.00 56.01 55.02 1snl n LEU 11 Cb 0.00 -1.28 -0.06 0.00 0.53 0.00 0.00 43.42 42.61 1snl n LEU 11 CO 0.00 -0.82 0.45 -1.81 -1.11 0.00 0.00 177.39 174.10 1snl s ASP 12 N 8.01 -0.64 0.16 1.96 1.01 -1.26 -5.04 116.67 120.88 1snl s ASP 12 Ca 1.10 0.63 -0.15 0.00 0.71 0.00 0.00 52.55 54.84 1snl s ASP 12 Cb -0.80 0.54 0.08 0.00 1.01 0.00 0.00 42.92 43.75 1snl s ASP 12 CO 0.46 -0.63 1.77 1.55 0.21 0.00 0.00 175.17 178.53 1snl h PRO 13 N 2.88 0.38 -0.52 8.23 0.13 -2.04 -3.38 132.00 137.68 1snl h PRO 13 Ca -0.27 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.53 1snl h PRO 13 Cb 1.16 -0.09 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 1snl h PRO 13 CO 0.39 0.25 -0.65 0.09 -0.23 0.00 0.00 178.00 177.85 1snl n ASN 14 N -4.94 -1.92 -0.81 1.44 4.13 -1.26 -5.13 115.26 106.76 1snl n ASN 14 Ca 0.02 -3.26 0.11 0.00 1.68 0.00 0.00 54.58 53.13 1snl n ASN 14 Cb 0.12 1.21 -0.03 0.00 -1.54 0.00 0.00 39.78 39.54 1snl n ASN 14 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1snl n ARG 15 N 1.21 -1.60 -1.08 3.52 1.74 -1.26 -3.78 116.66 115.40 1snl n ARG 15 Ca 0.12 1.06 -0.23 0.00 -0.77 0.00 0.00 57.85 58.03 1snl n ARG 15 Cb 0.63 -1.95 0.13 0.00 -1.02 0.00 0.00 32.46 30.25 1snl n ARG 15 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1snl n PHE 16 N -2.58 2.64 -2.70 -1.55 7.35 -1.26 -4.51 117.46 114.86 1snl n PHE 16 Ca 0.01 -1.92 -0.06 0.00 -0.76 0.00 0.00 57.45 54.71 1snl n PHE 16 Cb 0.36 -0.96 0.07 0.00 0.35 0.00 0.00 39.48 39.30 1snl n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1snl n ASN 17 N -0.81 -1.85 0.28 -2.13 4.05 -1.25 -4.99 115.26 108.56 1snl n ASN 17 Ca 0.51 -2.39 0.15 0.00 0.45 0.00 0.00 54.58 53.31 1snl n ASN 17 Cb 1.28 1.19 0.80 0.00 1.23 0.00 0.00 39.78 44.28 1snl n ASN 17 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1snl h PRO 18 N 3.29 0.00 -1.00 1.20 0.13 -1.79 -2.78 132.00 131.04 1snl h PRO 18 Ca -0.21 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1snl h PRO 18 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1snl h PRO 18 CO 0.01 0.08 0.66 -0.22 -0.23 0.00 0.00 178.00 178.30 1snl h LYS 19 N 0.00 1.27 -0.41 0.86 3.64 -1.94 -2.71 116.57 117.28 1snl h LYS 19 Ca -0.00 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1snl h LYS 19 Cb 0.30 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1snl h LYS 19 CO 0.01 0.84 -0.19 1.15 -2.27 0.00 0.00 179.45 178.99 1snl h THR 20 N 1.31 1.28 -0.83 1.00 2.02 -1.92 -2.76 112.91 113.00 1snl h THR 20 Ca 0.39 -1.33 0.11 0.00 0.77 0.00 0.00 66.41 66.34 1snl h THR 20 Cb -0.06 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 1snl h THR 20 CO -0.11 0.45 0.54 0.15 0.37 0.00 0.00 175.52 176.92 1snl h PHE 21 N 0.67 0.80 -0.32 3.16 3.57 -1.59 0.35 116.94 123.58 1snl h PHE 21 Ca 0.09 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1snl h PHE 21 Cb 0.75 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1snl h PHE 21 CO 0.06 0.35 -0.19 0.35 -2.23 0.00 0.00 178.31 176.65 1snl h PHE 22 N 0.73 0.66 0.40 0.41 3.04 -1.29 -2.38 116.94 118.50 1snl h PHE 22 Ca 0.39 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 1snl h PHE 22 Cb 0.53 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1snl h PHE 22 CO -0.00 0.75 -0.19 0.82 -2.02 0.00 0.00 178.31 177.67 1snl h ILE 23 N 0.53 0.00 -1.10 1.41 2.04 -0.78 -2.55 117.51 117.07 1snl h ILE 23 Ca 0.08 -0.51 0.32 0.00 1.00 0.00 0.00 64.86 65.75 1snl h ILE 23 Cb 0.63 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 1snl h ILE 23 CO 0.04 0.00 0.68 0.25 0.00 0.00 0.00 178.15 179.13 1snl h LEU 24 N -1.05 0.44 -0.35 1.44 5.85 -1.31 1.39 115.31 121.72 1snl h LEU 24 Ca -0.05 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1snl h LEU 24 Cb 0.41 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1snl h LEU 24 CO 0.09 -0.03 0.00 -0.74 -0.34 0.00 0.00 178.44 177.42 1snl h HIS 25 N 0.32 0.00 -1.70 1.25 2.76 -1.42 -3.40 115.15 112.96 1snl h HIS 25 Ca 0.69 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 58.30 1snl h HIS 25 Cb 1.78 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.65 1snl h HIS 25 CO -0.01 0.00 1.28 -0.51 -1.30 0.00 0.00 177.93 177.39 1snl s ASP 26 N -4.87 6.29 -0.09 3.26 1.01 0.47 -4.83 116.67 117.91 1snl s ASP 26 Ca 0.07 -0.93 -0.23 0.00 0.71 0.00 0.00 52.55 52.17 1snl s ASP 26 Cb 0.10 -2.56 -0.19 0.00 1.01 0.00 0.00 42.92 41.27 1snl s ASP 26 CO 0.55 -1.71 0.82 0.40 0.21 0.00 0.00 175.17 175.44 1snl h ILE 27 N 6.46 1.28 -0.01 0.77 2.04 -1.80 -3.28 117.51 122.97 1snl h ILE 27 Ca -0.03 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1snl h ILE 27 Cb 1.03 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1snl h ILE 27 CO 1.35 0.38 -0.06 -0.46 0.00 0.00 0.00 178.15 179.36 1snl n ASN 28 N -4.76 0.57 -3.50 1.72 2.04 -1.26 -4.93 115.26 105.14 1snl n ASN 28 Ca -0.08 -0.88 -0.19 0.00 -0.44 0.00 0.00 54.58 52.99 1snl n ASN 28 Cb 0.33 -0.04 0.06 0.00 -2.53 0.00 0.00 39.78 37.60 1snl n ASN 28 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1snl n SER 29 N -0.72 -3.10 -0.70 0.53 7.64 -1.24 -4.88 113.62 111.16 1snl n SER 29 Ca 0.18 -0.74 0.13 0.00 1.01 0.00 0.00 58.87 59.45 1snl n SER 29 Cb 0.25 -4.66 0.24 0.00 -1.01 0.00 0.00 64.21 59.03 1snl n SER 29 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1snl n ASP 30 N -3.09 2.26 0.00 6.43 8.00 -1.26 -4.91 116.55 123.98 1snl n ASP 30 Ca -0.23 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1snl n ASP 30 Cb 0.65 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snl n GLY 31 N 1.31 0.84 3.15 0.44 0.00 -1.26 -4.97 105.19 104.70 1snl n GLY 31 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.46 0.18 -0.17 1.61 -7.23 -1.26 -3.90 120.40 106.16 1snl s VAL 32 Ca 0.00 -1.51 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1snl s VAL 32 Cb 0.00 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1snl s VAL 32 CO 0.00 -0.80 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.22 1snl s LEU 33 N -2.90 3.36 0.34 1.32 1.43 -1.08 -4.97 118.68 116.19 1snl s LEU 33 Ca 0.07 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1snl s LEU 33 Cb 0.06 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1snl s LEU 33 CO -0.10 0.14 0.28 1.51 0.23 0.00 0.00 176.35 178.42 1snl s ASP 34 N 0.52 5.25 0.00 2.29 -4.77 -1.26 -3.11 116.67 115.59 1snl s ASP 34 Ca -0.01 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.72 1snl s ASP 34 Cb -0.14 -0.96 0.00 0.00 -1.09 0.00 0.00 42.92 40.73 1snl s ASP 34 CO 0.02 -0.35 0.75 -0.62 0.70 0.00 0.00 175.17 175.67 1snl n GLU 35 N -1.36 0.00 -0.07 2.11 1.02 -1.26 -1.27 120.64 119.81 1snl n GLU 35 Ca -0.02 0.27 -0.19 0.00 -0.02 0.00 0.00 57.16 57.20 1snl n GLU 35 Cb 0.60 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 30.24 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1snl h GLN 36 N 0.00 0.04 0.00 3.49 1.08 -1.96 -2.49 115.11 115.27 1snl h GLN 36 Ca 0.00 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 1snl h GLN 36 Cb 0.31 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1snl h GLN 36 CO 0.00 1.03 -0.51 0.93 -0.95 0.00 0.00 178.83 179.33 1snl h GLU 37 N -0.88 0.00 0.11 1.46 5.08 -1.56 -1.20 114.58 117.59 1snl h GLU 37 Ca -0.24 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.83 1snl h GLU 37 Cb 1.30 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.57 1snl h GLU 37 CO -0.10 0.51 -1.22 1.25 -1.00 0.00 0.00 179.01 178.45 1snl h LEU 38 N 0.00 0.81 -0.07 1.33 5.85 -1.50 -2.53 115.31 119.19 1snl h LEU 38 Ca -0.01 -0.74 -0.24 0.00 0.84 0.00 0.00 57.88 57.73 1snl h LEU 38 Cb 0.95 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 41.74 1snl h LEU 38 CO 0.07 1.55 -0.88 -0.33 -0.34 0.00 0.00 178.44 178.51 1snl h GLU 39 N 0.26 0.73 -0.31 1.25 3.07 -1.37 -2.86 114.58 115.34 1snl h GLU 39 Ca -0.17 -0.68 -0.17 0.00 -0.50 0.00 0.00 59.36 57.83 1snl h GLU 39 Cb 1.89 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1snl h GLU 39 CO 0.23 1.28 -0.48 0.00 -1.40 0.00 0.00 179.01 178.63 1snl h ALA 40 N 0.47 0.55 0.00 3.43 0.00 -1.32 -1.43 119.26 120.96 1snl h ALA 40 Ca -0.09 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1snl h ALA 40 Cb 1.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1snl h ALA 40 CO 0.18 0.68 -0.36 1.25 0.00 0.00 0.00 179.25 181.00 1snl h LEU 41 N 0.67 0.00 0.01 0.00 5.85 -1.54 -2.14 115.31 118.16 1snl h LEU 41 Ca 0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1snl h LEU 41 Cb 1.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1snl h LEU 41 CO 0.11 0.36 -0.66 -0.26 -0.34 0.00 0.00 178.44 177.65 1snl h PHE 42 N 0.00 0.03 -0.38 1.25 -1.00 -1.43 -3.02 116.94 112.38 1snl h PHE 42 Ca -0.00 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1snl h PHE 42 Cb 0.93 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.47 1snl h PHE 42 CO 0.00 1.26 0.08 1.15 -1.61 0.00 0.00 178.31 179.19 1snl h THR 43 N -0.96 1.18 -0.11 -1.55 2.02 -1.34 -2.89 112.91 109.26 1snl h THR 43 Ca -0.18 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 1snl h THR 43 Cb 1.18 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1snl h THR 43 CO -0.09 0.24 -0.16 0.50 0.37 0.00 0.00 175.52 176.37 1snl h LYS 44 N 0.56 0.31 -0.28 6.66 3.64 -1.52 -3.00 116.57 122.93 1snl h LYS 44 Ca 0.13 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1snl h LYS 44 Cb 0.23 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1snl h LYS 44 CO -0.00 0.75 0.25 1.49 -2.27 0.00 0.00 179.45 179.67 1snl h GLU 45 N -0.11 0.00 0.00 1.90 4.81 -1.38 0.11 114.58 119.91 1snl h GLU 45 Ca 0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1snl h GLU 45 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1snl h GLU 45 CO 0.04 0.00 -0.24 1.25 -0.73 0.00 0.00 179.01 179.33 1snl h LEU 46 N 0.00 0.00 -0.20 1.64 5.85 -1.36 -2.29 115.31 118.95 1snl h LEU 46 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1snl h LEU 46 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1snl h LEU 46 CO -0.00 0.24 0.00 -1.84 -0.34 0.00 0.00 178.44 176.50 1snl n GLU 47 N -3.43 1.13 -0.03 1.25 -0.00 0.37 -2.88 120.64 117.05 1snl n GLU 47 Ca -0.00 -0.20 0.03 0.00 -0.00 0.00 0.00 57.16 56.99 1snl n GLU 47 Cb 0.42 -1.37 -0.12 0.00 -0.00 0.00 0.00 31.44 30.37 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1snl n LYS 48 N -0.64 0.86 -0.00 3.44 5.02 -0.86 -3.46 118.16 122.52 1snl n LYS 48 Ca 0.17 -0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 1snl n LYS 48 Cb 0.13 -1.38 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -2.22 1.75 0.31 -0.18 0.31 -1.20 -4.14 118.33 112.96 1snl n VAL 49 Ca -0.10 -0.68 0.12 0.00 -0.01 0.00 0.00 64.34 63.66 1snl n VAL 49 Cb 0.60 -1.60 0.09 0.00 -0.91 0.00 0.00 33.84 32.03 1snl n VAL 49 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1snl h TYR 50 N 0.06 0.00 -6.01 3.52 -1.99 -1.76 -3.49 116.97 107.29 1snl h TYR 50 Ca -0.40 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.14 1snl h TYR 50 Cb 2.03 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.77 1snl h TYR 50 CO 0.06 0.00 -0.94 -0.25 -0.00 0.00 0.00 178.16 177.03 1snl n ASP 51 N -2.50 -6.61 -3.33 3.88 9.92 -1.22 -4.92 116.55 111.76 1snl n ASP 51 Ca 0.02 0.24 -0.31 0.00 -0.53 0.00 0.00 54.79 54.22 1snl n ASP 51 Cb 0.50 -3.16 0.30 0.00 -0.64 0.00 0.00 41.12 38.12 1snl n ASP 51 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1snl s PRO 52 N -2.30 -3.32 0.11 -0.24 0.02 -1.26 -5.03 135.00 122.98 1snl s PRO 52 Ca 0.28 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.44 1snl s PRO 52 Cb -0.04 -1.33 0.00 0.00 0.02 0.00 0.00 34.50 33.15 1snl s PRO 52 CO 0.75 -5.13 0.00 1.63 -0.33 0.00 0.00 177.00 173.91 1snl n LYS 53 N -5.82 0.00 -3.08 5.54 5.02 -1.26 -5.09 118.16 113.47 1snl n LYS 53 Ca 0.13 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.46 1snl n LYS 53 Cb 0.60 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1snl n LYS 53 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1snl s ASN 54 N -4.96 -0.62 -0.18 4.39 3.04 -1.26 -5.07 114.94 110.28 1snl s ASN 54 Ca 0.00 -0.02 -0.10 0.00 0.04 0.00 0.00 52.86 52.78 1snl s ASN 54 Cb 0.00 1.24 0.04 0.00 -1.54 0.00 0.00 41.25 40.99 1snl s ASN 54 CO 0.00 -0.10 0.20 -0.62 -3.04 0.00 0.00 177.10 173.53 1snl n GLU 55 N 4.84 -4.07 -1.77 0.43 1.02 -1.26 -5.06 120.64 114.77 1snl n GLU 55 Ca 0.08 3.11 0.00 0.00 -0.02 0.00 0.00 57.16 60.34 1snl n GLU 55 Cb 0.58 -4.55 0.00 0.00 -0.02 0.00 0.00 31.44 27.45 1snl n GLU 55 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1snl n GLU 56 N 1.72 1.15 0.14 3.49 0.00 -1.26 -5.11 120.64 120.76 1snl n GLU 56 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.83 1snl n GLU 56 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 1snl n GLU 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1snl n ASP 57 N -1.74 -1.29 -0.38 -1.84 2.03 -1.26 -4.86 116.55 107.21 1snl n ASP 57 Ca 0.00 0.50 0.37 0.00 0.52 0.00 0.00 54.79 56.18 1snl n ASP 57 Cb 0.00 1.35 0.74 0.00 -0.72 0.00 0.00 41.12 42.49 1snl n ASP 57 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1snl h ASP 58 N 0.00 0.05 -0.63 1.67 2.03 -1.99 0.87 116.42 118.42 1snl h ASP 58 Ca 0.00 0.01 0.10 0.00 -0.73 0.00 0.00 57.03 56.41 1snl h ASP 58 Cb 0.00 0.01 -0.04 0.00 -0.83 0.00 0.00 39.33 38.47 1snl h ASP 58 CO 0.00 -0.00 0.42 -0.03 -1.03 0.00 0.00 179.24 178.60 1snl h MET 59 N 0.04 0.44 0.11 4.15 4.05 -2.00 -1.83 114.93 119.89 1snl h MET 59 Ca 0.63 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.86 1snl h MET 59 Cb 2.42 -0.10 0.02 0.00 -0.80 0.00 0.00 31.60 33.14 1snl h MET 59 CO -0.05 0.29 -0.72 -0.09 0.23 0.00 0.00 176.91 176.57 1snl h ARG 60 N 0.45 0.29 0.00 0.39 2.43 0.41 -3.13 114.38 115.22 1snl h ARG 60 Ca 0.29 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1snl h ARG 60 Cb 0.54 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1snl h ARG 60 CO -0.08 1.20 0.16 -1.91 -1.51 0.00 0.00 179.97 177.82 1snl n GLU 61 N -4.18 0.03 0.00 0.20 2.13 -0.73 0.14 120.64 118.24 1snl n GLU 61 Ca -0.13 0.44 0.11 0.00 0.66 0.00 0.00 57.16 58.23 1snl n GLU 61 Cb 0.77 -1.77 -0.05 0.00 0.27 0.00 0.00 31.44 30.66 1snl n GLU 61 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1snl n MET 62 N -1.61 0.76 0.00 5.31 1.56 -0.92 -4.43 117.12 117.78 1snl n MET 62 Ca -0.00 -0.59 0.00 0.00 -0.27 0.00 0.00 57.70 56.84 1snl n MET 62 Cb 0.16 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.06 1snl n MET 62 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1snl n GLU 63 N -0.62 0.00 0.20 2.12 0.28 0.38 -2.62 120.64 120.37 1snl n GLU 63 Ca 0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.13 1snl n GLU 63 Cb 0.41 -1.27 0.54 0.00 1.43 0.00 0.00 31.44 32.55 1snl n GLU 63 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1snl h GLU 64 N 0.00 0.10 -0.34 3.44 3.07 -1.78 -1.83 114.58 117.24 1snl h GLU 64 Ca 0.00 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.95 1snl h GLU 64 Cb 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1snl h GLU 64 CO 0.00 0.15 0.31 1.49 -1.40 0.00 0.00 179.01 179.57 1snl h GLU 65 N 0.10 0.00 -0.22 2.33 4.81 -1.90 -1.12 114.58 118.58 1snl h GLU 65 Ca 0.02 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1snl h GLU 65 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1snl h GLU 65 CO 0.01 0.00 -0.24 0.00 -0.73 0.00 0.00 179.01 178.04 1snl h ARG 66 N 0.00 0.55 -0.85 1.92 3.08 -1.61 -2.10 114.38 115.37 1snl h ARG 66 Ca 0.16 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 59.96 1snl h ARG 66 Cb 0.79 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 1snl h ARG 66 CO -0.00 0.89 0.53 -0.07 -1.07 0.00 0.00 179.97 180.25 1snl h LEU 67 N 0.23 0.86 -0.53 3.04 3.38 -1.33 1.98 115.31 122.94 1snl h LEU 67 Ca 0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1snl h LEU 67 Cb 0.80 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1snl h LEU 67 CO 0.06 0.57 -0.45 -0.09 0.09 0.00 0.00 178.44 178.62 1snl h ARG 68 N 1.00 0.67 0.05 1.13 1.12 -1.49 0.10 114.38 116.97 1snl h ARG 68 Ca 0.36 -0.38 -0.26 0.00 -1.11 0.00 0.00 59.98 58.59 1snl h ARG 68 Cb 0.10 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 1snl h ARG 68 CO -0.15 0.99 -1.28 0.52 -3.11 0.00 0.00 179.97 176.95 1snl h MET 69 N 0.54 0.11 -0.00 0.20 0.00 -0.67 -2.91 114.93 112.20 1snl h MET 69 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 59.70 59.54 1snl h MET 69 Cb 1.00 0.07 0.00 0.00 0.00 0.00 0.00 31.60 32.67 1snl h MET 69 CO 0.09 0.99 -0.02 -0.09 0.00 0.00 0.00 176.91 177.89 1snl h ARG 70 N 0.03 0.02 -0.06 1.72 2.43 0.32 -2.89 114.38 115.96 1snl h ARG 70 Ca -0.13 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1snl h ARG 70 Cb 1.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1snl h ARG 70 CO 0.14 0.71 0.03 0.93 -1.51 0.00 0.00 179.97 180.28 1snl h GLU 71 N -0.66 0.07 -0.84 0.20 5.08 -0.93 -1.00 114.58 116.50 1snl h GLU 71 Ca -0.00 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1snl h GLU 71 Cb 0.71 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1snl h GLU 71 CO 0.00 0.08 0.55 1.25 -1.00 0.00 0.00 179.01 179.89 1snl h HIS 72 N 0.05 0.74 0.11 4.33 2.76 -1.61 0.36 115.15 121.89 1snl h HIS 72 Ca 0.02 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1snl h HIS 72 Cb 0.02 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.75 1snl h HIS 72 CO -0.07 0.29 -0.05 0.28 -1.30 0.00 0.00 177.93 177.08 1snl h VAL 73 N 0.64 0.82 0.00 5.26 2.07 -1.21 -0.75 116.25 123.09 1snl h VAL 73 Ca 0.41 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1snl h VAL 73 Cb 0.69 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1snl h VAL 73 CO -0.17 0.24 0.00 0.24 0.02 0.00 0.00 177.57 177.90 1snl h MET 74 N -0.93 0.00 0.08 1.57 2.07 -0.92 0.25 114.93 117.06 1snl h MET 74 Ca -0.02 0.00 -0.37 0.00 -2.07 0.00 0.00 59.70 57.24 1snl h MET 74 Cb 0.51 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 1snl h MET 74 CO 0.03 0.00 -2.15 1.17 1.07 0.00 0.00 176.91 177.03 1snl n LYS 75 N -2.93 0.72 0.00 1.72 4.81 0.13 -3.75 118.16 118.86 1snl n LYS 75 Ca -0.02 0.22 0.09 0.00 -0.87 0.00 0.00 58.31 57.74 1snl n LYS 75 Cb 0.14 -1.65 -0.10 0.00 0.02 0.00 0.00 35.03 33.44 1snl n LYS 75 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1snl n ASN 76 N -3.40 1.03 -0.05 3.14 5.03 -0.29 -4.57 115.26 116.15 1snl n ASN 76 Ca -0.36 -1.01 -0.07 0.00 0.87 0.00 0.00 54.58 54.01 1snl n ASN 76 Cb 1.03 0.95 -0.06 0.00 -1.02 0.00 0.00 39.78 40.67 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1snl n VAL 77 N -1.32 0.68 -1.42 2.41 0.31 0.85 -4.93 118.33 114.91 1snl n VAL 77 Ca 0.04 -0.33 -0.51 0.00 -0.01 0.00 0.00 64.34 63.53 1snl n VAL 77 Cb 0.32 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 1snl n VAL 77 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1snl n ASP 78 N -2.62 1.83 -0.05 4.52 5.75 -1.17 -4.82 116.55 119.99 1snl n ASP 78 Ca -0.19 0.40 -0.02 0.00 -0.01 0.00 0.00 54.79 54.98 1snl n ASP 78 Cb 0.77 -1.20 -0.01 0.00 -1.03 0.00 0.00 41.12 39.65 1snl n ASP 78 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1snl h THR 79 N 7.15 0.00 -0.48 2.12 1.35 -1.91 -3.39 112.91 117.74 1snl h THR 79 Ca -0.23 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1snl h THR 79 Cb 1.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1snl h THR 79 CO 1.05 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 173.12 1snl n ASN 80 N -4.04 4.65 -3.53 5.36 4.05 -1.26 -4.99 115.26 115.49 1snl n ASN 80 Ca -0.03 -2.72 -0.27 0.00 0.45 0.00 0.00 54.58 52.01 1snl n ASN 80 Cb 0.10 -0.57 0.02 0.00 1.23 0.00 0.00 39.78 40.56 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1snl n GLN 81 N 0.43 -1.76 -0.32 1.20 1.13 -1.26 -4.89 117.38 111.91 1snl n GLN 81 Ca 0.24 1.22 0.04 0.00 -1.94 0.00 0.00 57.00 56.55 1snl n GLN 81 Cb 0.94 -2.79 0.05 0.00 0.11 0.00 0.00 30.24 28.56 1snl n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1snl n ASP 82 N -1.34 0.89 0.00 1.08 2.03 -1.26 -4.94 116.55 113.01 1snl n ASP 82 Ca -0.16 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.79 1snl n ASP 82 Cb 0.65 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1snl n ARG 83 N -0.53 0.00 -5.02 -0.67 1.74 -1.26 -4.87 116.66 106.05 1snl n ARG 83 Ca 0.06 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.85 1snl n ARG 83 Cb 0.66 -4.25 -0.16 0.00 -1.02 0.00 0.00 32.46 27.68 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1snl s LEU 84 N 0.00 1.98 -0.16 0.55 1.43 -1.26 -4.21 118.68 117.00 1snl s LEU 84 Ca 0.00 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1snl s LEU 84 Cb 0.00 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1snl s LEU 84 CO 0.00 0.19 -0.05 -0.69 0.23 0.00 0.00 176.35 176.02 1snl s VAL 85 N -0.02 3.66 0.18 -1.59 1.01 -1.18 -4.89 120.40 117.57 1snl s VAL 85 Ca -0.05 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1snl s VAL 85 Cb -0.13 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1snl s VAL 85 CO 0.03 0.49 0.25 0.42 0.00 0.00 0.00 175.10 176.28 1snl s THR 86 N 0.53 4.96 0.28 3.92 -4.23 -1.26 -2.62 115.64 117.21 1snl s THR 86 Ca -0.04 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1snl s THR 86 Cb -0.15 -3.59 0.27 0.00 1.34 0.00 0.00 72.50 70.37 1snl s THR 86 CO 0.03 -0.17 1.93 0.25 -0.54 0.00 0.00 174.62 176.11 1snl h LEU 87 N 1.95 1.04 0.13 4.79 5.85 -1.99 -0.34 115.31 126.73 1snl h LEU 87 Ca -0.49 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1snl h LEU 87 Cb 1.21 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1snl h LEU 87 CO 0.65 0.72 -0.07 -0.33 -0.34 0.00 0.00 178.44 179.07 1snl h GLU 88 N 1.21 -0.18 -0.03 1.25 4.39 -1.94 -1.47 114.58 117.81 1snl h GLU 88 Ca 0.37 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 1snl h GLU 88 Cb -0.03 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1snl h GLU 88 CO -0.10 -0.12 -0.06 0.93 -1.16 0.00 0.00 179.01 178.50 1snl h GLU 89 N -0.18 0.04 0.14 2.33 4.39 -1.97 -2.82 114.58 116.50 1snl h GLU 89 Ca -0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1snl h GLU 89 Cb 0.14 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1snl h GLU 89 CO 0.02 0.10 -0.07 0.35 -1.16 0.00 0.00 179.01 178.25 1snl h PHE 90 N 0.04 -0.18 -0.74 4.33 3.57 -0.94 -2.75 116.94 120.26 1snl h PHE 90 Ca 0.01 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1snl h PHE 90 Cb 0.13 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.83 1snl h PHE 90 CO 0.00 0.02 0.24 -0.07 -2.23 0.00 0.00 178.31 176.27 1snl h LEU 91 N -0.35 0.14 0.03 0.59 3.38 -1.01 -1.82 115.31 116.28 1snl h LEU 91 Ca -0.02 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1snl h LEU 91 Cb 0.28 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1snl h LEU 91 CO 0.03 0.03 -0.44 0.00 0.09 0.00 0.00 178.44 178.15 1snl h ALA 92 N 1.58 -0.73 -1.21 1.53 0.00 -1.41 0.77 119.26 119.79 1snl h ALA 92 Ca 0.41 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.62 1snl h ALA 92 Cb 0.68 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 1snl h ALA 92 CO -0.46 -0.99 0.81 1.03 0.00 0.00 0.00 179.25 179.64 1snl h SER 93 N -0.61 0.25 0.00 0.00 0.87 -1.13 -1.67 113.55 111.26 1snl h SER 93 Ca 0.03 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 1snl h SER 93 Cb 0.68 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1snl h SER 93 CO -0.30 -0.01 -0.79 0.71 -0.53 0.00 0.00 176.83 175.90 1snl h THR 94 N 0.19 0.98 -3.17 2.23 1.35 -0.88 -3.46 112.91 110.15 1snl h THR 94 Ca 0.67 -2.02 -0.58 0.00 -0.55 0.00 0.00 66.41 63.93 1snl h THR 94 Cb 2.12 2.14 0.13 0.00 -1.73 0.00 0.00 68.15 70.82 1snl h THR 94 CO -0.24 0.33 0.20 0.00 -0.25 0.00 0.00 175.52 175.56 1snl n GLN 95 N -4.52 1.37 -2.69 4.72 6.02 0.25 -4.91 117.38 117.62 1snl n GLN 95 Ca -0.22 0.49 -0.06 0.00 -0.01 0.00 0.00 57.00 57.20 1snl n GLN 95 Cb 0.55 -2.09 0.09 0.00 1.02 0.00 0.00 30.24 29.80 1snl n GLN 95 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1snl n ARG 96 N 0.01 0.95 -0.32 -1.09 0.00 -1.26 -4.83 116.66 110.12 1snl n ARG 96 Ca 0.09 -1.54 0.19 0.00 -0.00 0.00 0.00 57.85 56.59 1snl n ARG 96 Cb 0.40 -0.03 0.44 0.00 0.00 0.00 0.00 32.46 33.27 1snl n ARG 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1snl h LYS 97 N 1.79 0.52 -5.20 -0.14 1.57 -1.97 -3.37 116.57 109.77 1snl h LYS 97 Ca -0.35 -0.03 -0.35 0.00 -1.87 0.00 0.00 60.65 58.05 1snl h LYS 97 Cb 1.29 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1snl h LYS 97 CO -0.11 0.34 1.45 0.39 -0.57 0.00 0.00 179.45 180.95 1snl n GLU 98 N -4.69 0.34 0.00 3.15 4.71 -1.26 -5.35 120.64 117.54 1snl n GLU 98 Ca 0.24 -0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1snl n GLU 98 Cb 0.74 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1snl n GLU 98 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41